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The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules. 

2023 Battelle Distinguished Inventors

Four scientists affiliated with ORNL were named Battelle Distinguished Inventors during the lab’s annual Innovation Awards on Dec. 1 in recognition of being granted 14 or more United States patents.

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Scientist-inventors from ORNL will present seven new technologies during the Technology Innovation Showcase on Friday, July 14, from 8 a.m.–4 p.m. at the Joint Institute for Computational Sciences on ORNL’s campus.

Oak Ridge National Laboratory led a team of scientists to design a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and future virus outbreaks. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory designed a molecule that disrupts the infection mechanism of the SARS-CoV-2 coronavirus and could be used to develop new treatments for COVID-19 and other viral diseases.

Researchers at Oak Ridge National Laboratory developed an eco-friendly foam insulation for improved building efficiency. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Scientists at ORNL developed a competitive, eco-friendly alternative made without harmful blowing agents.

Researchers at ORNL designed a recyclable carbon fiber material to promote low-carbon manufacturing. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists designed a recyclable polymer for carbon-fiber composites to enable circular manufacturing of parts that boost energy efficiency in automotive, wind power and aerospace applications.

Shown here is the structure of the NEMO protein. A team from ORNL conducted extensive molecular dynamics work on Summit by using both quantum mechanics and machine-learning methods to look at the binding affinity of NEMO and 3CLpro in humans and other species and to consider the structural models derived from the sequences of other coronaviruses. Image courtesy Nature Communications, Dan Jacobson/ORNL.

A new paper published in Nature Communications adds further evidence to the bradykinin storm theory of COVID-19’s viral pathogenesis — a theory that was posited two years ago by a team of researchers at the Department of Energy’s Oak Ridge National Laboratory.

ORNL’s Valentino Cooper will direct a new DOE Energy Frontier Research Center focused on polymer electrolytes for solid-state batteries. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

ORNL has been selected to lead an Energy Frontier Research Center, or EFRC, focused on polymer electrolytes for next-generation energy storage devices such as fuel cells and solid-state electric vehicle batteries.

Technology Innovation Program

Five technologies invented by scientists at the Department of Energy’s Oak Ridge National Laboratory have been selected for targeted investment through ORNL’s Technology Innovation Program.

Frontier has arrived, and ORNL is preparing for science on Day One. Credit: Carlos Jones/ORNL, Dept. of Energy

The Frontier supercomputer at the Department of Energy’s Oak Ridge National Laboratory earned the top ranking today as the world’s fastest on the 59th TOP500 list, with 1.1 exaflops of performance. The system is the first to achieve an unprecedented level of computing performance known as exascale, a threshold of a quintillion calculations per second.